Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB


Graphical representations:


View large 3D structure

Molecular Formula: C4H9NO2

Natural Isotopic Abundance Mass: 103.1197600000

Mono-Isotopic Molecular Masses:

  • C12N14: 103.063328538
  • C13N14: 107.076747889
  • C12N15: 104.060363431
  • C13N15: 107.076747889

InChI string: InChI=1/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7)/f/h6H

IUPAC: 2-dimethylaminoacetic acid

PubChem Compound (CID): 673
KEGG Compound ID: C01026
CAS Registry number: 1118-68-9 17647-86-8 18319-88-5 2491-06-7
ChEBI: 17724
Beilstein Handbook Reference: 4-04-00-02365
EINECS: 214-267-8

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73,